1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;hydrochloride

C26H29ClN4O2 — CID 69096505

IUPAC1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;hydrochloride
SMILESCc1nn(CCN2CCCC2)c2ccc(-n3ccc(OCc4ccccc4)cc3=O)cc12.Cl
InChIInChI=1S/C26H28N4O2.ClH/c1-20-24-17-22(9-10-25(24)30(27-20)16-15-28-12-5-6-13-28)29-14-11-23(18-26(29)31)32-19-21-7-3-2-4-8-21;/h2-4,7-11,14,17-18H,5-6,12-13,15-16,19H2,1H3;1H
InChIKeyNECFQUYBYXGARM-UHFFFAOYSA-N
MW465.00 g/mol
LogP4.59
Rot. Bonds7

About 1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;hydrochloride

1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;hydrochloride (PubChem CID 69096505) has the molecular formula C26H29ClN4O2 and a molecular weight of 465.00 g/mol. Its IUPAC name is 1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;hydrochloride
PubChem CID69096505
Molecular FormulaC26H29ClN4O2
Molecular Weight465.00 g/mol
Exact Mass464.20
IUPAC Name1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;hydrochloride
SMILESCc1nn(CCN2CCCC2)c2ccc(-n3ccc(OCc4ccccc4)cc3=O)cc12.Cl
InChIInChI=1S/C26H28N4O2.ClH/c1-20-24-17-22(9-10-25(24)30(27-20)16-15-28-12-5-6-13-28)29-14-11-23(18-26(29)31)32-19-21-7-3-2-4-8-21;/h2-4,7-11,14,17-18H,5-6,12-13,15-16,19H2,1H3;1H
InChIKeyNECFQUYBYXGARM-UHFFFAOYSA-N
XLogP4.59
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.00
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;hydrochloride?
The IUPAC name of 1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;hydrochloride (CID 69096505) is 1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;hydrochloride.
What is the SMILES notation for 1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;hydrochloride?
The canonical SMILES for 1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;hydrochloride is Cc1nn(CCN2CCCC2)c2ccc(-n3ccc(OCc4ccccc4)cc3=O)cc12.Cl.
What is the InChIKey of 1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;hydrochloride?
The InChIKey is NECFQUYBYXGARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2.ClH/c1-20-24-17-22(9-10-25(24)30(27-20)16-15-28-12-5-6-13-28)29-14-11-23(18-26(29)31)32-19-21-7-3-2-4-8-21;/h2-4,7-11,14,17-18H,5-6,12-13,15-16,19H2,1H3;1H.
What are the key properties of 1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;hydrochloride?
1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;hydrochloride has a molecular weight of 465.00 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;hydrochloride is sourced from PubChem (CID 69096505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).